UCSF

ZINC36108133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 9.04 -56.8 0 7 -1 105 402.467 9
Hi High (pH 8-9.5) 1.64 8.14 -127.68 0 7 -2 111 401.459 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )